2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol

C12H19NO2 — CID 102680065

IUPAC2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol
SMILESCc1ccc(CN(CCO)C2CCC2)o1
InChIInChI=1S/C12H19NO2/c1-10-5-6-12(15-10)9-13(7-8-14)11-3-2-4-11/h5-6,11,14H,2-4,7-9H2,1H3
InChIKeyWJRJISKPOMWPMH-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.93
Rot. Bonds5

About 2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol

2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol (PubChem CID 102680065) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol
PubChem CID102680065
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol
SMILESCc1ccc(CN(CCO)C2CCC2)o1
InChIInChI=1S/C12H19NO2/c1-10-5-6-12(15-10)9-13(7-8-14)11-3-2-4-11/h5-6,11,14H,2-4,7-9H2,1H3
InChIKeyWJRJISKPOMWPMH-UHFFFAOYSA-N
XLogP1.93
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(furan-2-ylmethyl)amino]ethanol
CID 62016796
trans-(1S,2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentan-1-ol
CID 102734364
N-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide
CID 102684491
2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
CID 62015858
2-[cyclopentyl-[(4-methoxyphenyl)methyl]amino]ethanol
CID 62015643
4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102809822
N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 79198698
4-[5-[[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol
CID 42839319
2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 102676667
2-[(5-chlorothiophen-2-yl)methyl-cyclobutylamino]ethanol
CID 102676588
2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 102676753
N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60794855

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol (CID 102680065) is 2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol is Cc1ccc(CN(CCO)C2CCC2)o1.
What is the InChIKey of 2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol?
The InChIKey is WJRJISKPOMWPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10-5-6-12(15-10)9-13(7-8-14)11-3-2-4-11/h5-6,11,14H,2-4,7-9H2,1H3.
What are the key properties of 2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol?
2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 102680065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).